%chk=000196383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196383

0 1
O -0.096320 1.117964 1.915133
O -3.055779 1.781892 -0.135729
O 1.041526 3.273952 -1.370653
O -2.007965 -0.789749 2.164860
O -3.305998 -1.002512 0.344639
O 3.132868 -1.093207 -0.905443
N 2.101967 0.407021 0.468256
N -0.681163 -0.542332 -0.520595
N -1.027582 -2.739175 -1.105845
C -0.187452 0.831009 -0.550047
C -0.782639 1.502381 0.726040
C 1.354019 1.011553 -0.646383
C -2.299804 1.205165 0.912145
C 1.726083 2.501177 -0.742470
C -2.601738 -0.291169 1.016782
C -0.412045 -1.495329 -1.378887
C 2.909142 -0.716316 0.236847
C 0.501474 -1.464141 -2.560969
C 3.500939 -1.345238 1.461582
H -0.620742 1.381794 -1.439519
H -0.624523 2.608281 0.684120
H 1.706587 0.536544 -1.616217
H -2.673499 1.731307 1.830826
H 1.737125 0.629182 1.405891
H 2.653606 2.798476 -0.230492
H -0.321845 0.170670 2.155805
H -3.024956 1.213460 -0.947173
H 1.564991 -1.385536 -2.229006
H 0.464979 -2.365349 -3.186367
H 0.298402 -0.607353 -3.217159
H 4.287856 -2.063388 1.174344
H 3.961686 -0.615797 2.141244
H 2.749450 -1.908632 2.032927
H -1.162832 -3.364718 -1.886115
H -1.824666 -2.718636 -0.471794
H -2.132351 -1.768052 2.269122


%chk=000196383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196383

0 1
O -0.045012 1.601155 1.844614
O -3.048388 1.365876 -0.340694
O 1.202554 3.385162 -1.256905
O -0.993518 -0.865809 1.884519
O -2.830818 -1.350183 0.423831
O 2.966839 -1.338064 -0.738771
N 2.057839 0.374835 0.541978
N -0.716832 -0.438303 -0.509899
N -1.349979 -2.536023 -1.273222
C -0.145255 0.933885 -0.606393
C -0.811042 1.702997 0.588157
C 1.410275 1.013467 -0.601884
C -2.166874 1.002877 0.762056
C 1.881933 2.468062 -0.742782
C -1.826405 -0.510193 0.643252
C -0.604194 -1.417776 -1.426170
C 2.765415 -0.804620 0.403220
C 0.329363 -1.318331 -2.607917
C 3.278512 -1.428092 1.691017
H -0.500580 1.425204 -1.533304
H -0.900237 2.771865 0.354313
H 1.818538 0.486401 -1.490832
H -2.623097 1.220456 1.745777
H 1.756275 0.732110 1.456335
H 2.920197 2.638071 -0.362056
H -0.303384 0.707371 2.245500
H -3.667127 0.590292 -0.452427
H 1.375719 -1.465447 -2.275541
H 0.081235 -2.089947 -3.354989
H 0.251518 -0.331113 -3.095472
H 4.340455 -1.696770 1.566121
H 3.171063 -0.763472 2.564287
H 2.721397 -2.361683 1.885238
H -1.282465 -3.285135 -1.958639
H -2.117614 -2.462177 -0.539757
H -1.547508 -1.531749 2.367140


